2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol

C9H16N2OS — CID 115778202

IUPAC2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol
SMILESCc1nccn1CCSC(C)CO
InChIInChI=1S/C9H16N2OS/c1-8(7-12)13-6-5-11-4-3-10-9(11)2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyJUOXNSAECCBGGV-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol

2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol (PubChem CID 115778202) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol
PubChem CID115778202
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol
SMILESCc1nccn1CCSC(C)CO
InChIInChI=1S/C9H16N2OS/c1-8(7-12)13-6-5-11-4-3-10-9(11)2/h3-4,8,12H,5-7H2,1-2H3
InChIKeyJUOXNSAECCBGGV-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]butanoic acid
CID 105354085
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
CID 61075883
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol (CID 115778202) is 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol is Cc1nccn1CCSC(C)CO.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol?
The InChIKey is JUOXNSAECCBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8(7-12)13-6-5-11-4-3-10-9(11)2/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol?
2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 115778202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).